Information card for entry 7057890

Structure parameters

• Common name: chlorido-(pefloxacinato-O,O')-(2,2'-bipyridine-N,N')-copper(II) ‒methanol-water(2/1/8)
• Chemical name: chlorido-(1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline- 3-carboxylato-O,O')-(2,2'-bipyridine-N,N')-copper(II)‒methanol-water(2/1/8)
• Formula: C55 H74 Cl2 Cu2 F2 N10 O15
• Calculated formula: C55 H74 Cl2 Cu2 F2 N10 O15
• Title of publication: Extending the family of quinolone antibacterials to new copper derivatives: self-assembly, structural and topological features, catalytic and biological activity
• Authors of publication: Xerras, Panagiotis; Bacharidou, Anna-Maria; Kalogiannis, Stavros; Perdih, Franc; Kirillova, Marina V.; Kirillov, Alexander M.; Turel, Iztok; Psomas, George
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 19644
• a: 17.0082 ± 0.0002 Å
• b: 24.783 ± 0.0005 Å
• c: 14.5284 ± 0.0003 Å
• α: 90°
• β: 97.631 ± 0.002°
• γ: 90°
• Cell volume: 6069.69 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No